Dataset

Ethylparaben; LC-ESI-ITFT; MS2; CE: 35; R=15000; [M+H]+

This MassBank record with Accession MSBNK-UFZ-UF415603 contains the MS2 mass spectrum of Ethylparaben with the InChIkey NUVBSKCKDOMJSU-UHFFFAOYSA-N.

Chemical Information

molecular Image
InChI InChI=1S/C9H10O3/c1-2-12-9(11)7-3-5-8(10)6-4-7/h3-6,10H,2H2,1H3
SMILES CCOC(=O)C1=CC=C(O)C=C1
InChI Key NUVBSKCKDOMJSU-UHFFFAOYSA-N
Molecular Formula C9H10O3
Exact Mass 166.063 g/mol

Data and Resources

Metadata Information

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DOI
License URL https://creativecommons.org/licenses/by/4.0
Source https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-UFZ-UF415603
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MetadataPublished 2017-01-05
Related Molecule
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    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    DB13628 drugbank
    CHEBI:31575 chebi
    E4B rcsb_pdb
    CHEMBL15841 chembl
    28368 surechembl
    8434 pubchem
    14255EXE39 fdasrs
    PD002502 probes_and_drugs
    FEGLEI CCDC
    119107 brenda
    54717 brenda
    62701 brenda
    HMDB0032573 hmdb
    51049512 bindingdb
    51049550 bindingdb
    51049581 bindingdb
    51049612 bindingdb
    51049650 bindingdb
    51049681 bindingdb
    51193654 bindingdb
    51193657 bindingdb
    Molport-000-869-422 molport
    4773 drugcentral
    The data in this table is sourced from UniChem at EBI.